1-(1,3-benzodioxol-5-yl)-3-(5-ethyl-3,3-dimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl)urea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-(5-ethyl-3,3-dimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl)urea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)urea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)urea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)urea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-(5-ethyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)urea Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)NC(=O)NC3=CC4=C(C=C3)OCO4)OCC(C1=O)(C)C

Isomeric SMILES

CCN1C2=C(C=CC(=C2)NC(=O)NC3=CC4=C(C=C3)OCO4)OCC(C1=O)(C)C

InChI

InChI=1S/C21H23N3O5/c1-4-24-15-9-13(5-7-16(15)27-11-21(2,3)19(24)25)22-20(26)23-14-6-8-17-18(10-14)29-12-28-17/h5-10H,4,11-12H2,1-3H3,(H2,22,23,26)